UCSF

ZINC48749799

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 8.43 -39.79 3 4 1 55 313.421 8
Hi High (pH 8-9.5) 2.17 7.7 -11.92 2 4 0 50 312.413 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )